SCHEMBL4134746

SCHEMBL4134746

COc1ccc2cnnc(NC3CCNCC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HIF1A Q16665 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CYP2C19 P33261 2/20 0.49
CHEK2 O96017 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGDS O60760 1/20 0.47
CHEK1 O14757 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
SOS1 Q07889 2/20 0.46
NSD2 O96028 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14542568 0.82 CYP1A2 (0.53) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4130101 0.80 CYP1A2 (0.50) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4582703 0.79 CYP1A2 (0.51) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4122646 0.77 CYP1A2 (0.50) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4125530 0.77 CYP1A2 (0.47) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4129902 0.77 DNMT3A (0.65) NSD2KDM1AEHMT2RCOR1
SCHEMBL4125139 0.76 CYP1A2 (0.47) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4129671 0.76 CYP1A2 (0.47) CYP1A2LMNACYP3A4MAPK1HSD17B10
SCHEMBL4841974 0.75 MCHR1 (0.57) KDM1AEHMT2RCOR1
SCHEMBL1527029 0.75 TDP1 (0.53) CHEK2HPGDSCHEK1MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR CYP1A2 39/4885LMNA 2114/4885CYP3A4 338/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.